The effect of charge on CO binding in rhodium carbonyls:  From bridging to terminal CO

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DOIResolve DOI: http://doi.org/10.1021/ja0772795
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TypeArticle
Journal titleJournal of the American Chemical Society
ISSN0002-7863
Volume130
Issue7
Pages21262127; # of pages: 2
AbstractThe structures of cationic rhodium carbonyl cluster compounds containing one to six Rh atoms are established by infrared multiple photon dissociation spectroscopy. Comparison with their well-known neutral analogues reveals that ionization of the neutral compounds destabilizes bridge bound CO ligands in Rh2(CO)8 and Rh4(CO)12, leading to cationic complexes with only terminally bound CO. The destabilization is associated with removal of charge from a highest occupied molecular orbital that is bonding with respect to bridge-bound CO. Density functional theory calculations support this conclusion. The results provide a possible insight into electronic promoter effects in catalysis.
Publication date
LanguageEnglish
AffiliationNRC Steacie Institute for Molecular Sciences; National Research Council Canada
Peer reviewedYes
NPARC number21277119
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Record identifier453dd00f-4701-436f-a963-8ad9638fb278
Record created2015-12-03
Record modified2016-05-09
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